Geometry & MOs

Info

ID:	445783
PubChem CID:	135269506
Reduced:	N4C29H46 (1)
Stoich.:	A4B29C46 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	9.8
Dipole, Da:	1.84
IP(EA), eV:	-8.11(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-4-[[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)CC(C)NCC1=CC(=CC=C1)CN2C(CN(CC2C)CC3=CC=C(C=C3)C)C

DOS

IR

Vibrations